8-[cyclopentyl(methyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[cyclopentyl(methyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[cyclopentyl(methyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[cyclopentyl(methyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[cyclopentyl(methyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[cyclopentyl(methyl)amino]-1,3-dimethyl-7-p-anisyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C3CCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C3CCCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H27N5O3/c1-23(15-7-5-6-8-15)20-22-18-17(19(27)25(3)21(28)24(18)2)26(20)13-14-9-11-16(29-4)12-10-14/h9-12,15H,5-8,13H2,1-4H3